2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide

C13H24N2O2S2 — CID 106058141

IUPAC2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
SMILESCCCCCNS(=O)(=O)c1c(C)csc1CNCC
InChIInChI=1S/C13H24N2O2S2/c1-4-6-7-8-15-19(16,17)13-11(3)10-18-12(13)9-14-5-2/h10,14-15H,4-9H2,1-3H3
InChIKeyVUUIQXKCCDDPHD-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.63
Rot. Bonds9

About 2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide

2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide (PubChem CID 106058141) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
PubChem CID106058141
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC Name2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
SMILESCCCCCNS(=O)(=O)c1c(C)csc1CNCC
InChIInChI=1S/C13H24N2O2S2/c1-4-6-7-8-15-19(16,17)13-11(3)10-18-12(13)9-14-5-2/h10,14-15H,4-9H2,1-3H3
InChIKeyVUUIQXKCCDDPHD-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093653
N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749765
2-(ethylaminomethyl)-4-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077447
2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085306
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140
N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106017165
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
2-(ethylaminomethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106031339
N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 102753134
N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102752081
2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
CID 102752676
2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
CID 106069892

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide (CID 106058141) is 2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide is CCCCCNS(=O)(=O)c1c(C)csc1CNCC.
What is the InChIKey of 2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide?
The InChIKey is VUUIQXKCCDDPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-4-6-7-8-15-19(16,17)13-11(3)10-18-12(13)9-14-5-2/h10,14-15H,4-9H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide?
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide has a molecular weight of 304.48 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide is sourced from PubChem (CID 106058141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).